5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide

C13H20ClN3O4S — CID 120894029

IUPAC5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide
SMILESCNCCNS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC
InChIInChI=1S/C13H20ClN3O4S/c1-15-5-6-16-22(19,20)11-8-9(14)7-10(12(11)21-4)13(18)17(2)3/h7-8,15-16H,5-6H2,1-4H3
InChIKeyJSQCDJXVENFVDQ-UHFFFAOYSA-N
MW349.84 g/mol
LogP0.55
Rot. Bonds7

About 5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide

5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide (PubChem CID 120894029) has the molecular formula C13H20ClN3O4S and a molecular weight of 349.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide
PubChem CID120894029
Molecular FormulaC13H20ClN3O4S
Molecular Weight349.84 g/mol
Exact Mass349.09
IUPAC Name5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide
SMILESCNCCNS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC
InChIInChI=1S/C13H20ClN3O4S/c1-15-5-6-16-22(19,20)11-8-9(14)7-10(12(11)21-4)13(18)17(2)3/h7-8,15-16H,5-6H2,1-4H3
InChIKeyJSQCDJXVENFVDQ-UHFFFAOYSA-N
XLogP0.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120893948
3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894173
3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894158
5-chloro-2-methoxy-3-(2-methylsulfanylethylsulfamoyl)benzoic acid
CID 43525936
5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide
CID 120893997
5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 120894133
3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
CID 110758543
3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894182
5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
CID 43510552
5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
CID 120893957
3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide
CID 110758544
3-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894234

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide (CID 120894029) is 5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide is CNCCNS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC.
What is the InChIKey of 5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide?
The InChIKey is JSQCDJXVENFVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O4S/c1-15-5-6-16-22(19,20)11-8-9(14)7-10(12(11)21-4)13(18)17(2)3/h7-8,15-16H,5-6H2,1-4H3.
What are the key properties of 5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide?
5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide has a molecular weight of 349.84 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide is sourced from PubChem (CID 120894029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).